@MOLECULE chlorotrianisene 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.5887 -2.9852 0.1713 Cl 1 UNL1111111111 -0.0947 2 O 6.2005 -0.6428 0.3365 O.3 1 UNL1111111111 -0.3196 3 O -1.6085 4.7612 -0.3865 O.3 1 UNL1111111111 -0.3200 4 O -5.7020 -1.7065 -0.3021 O.3 1 UNL1111111111 -0.3157 5 C 0.6299 -0.3462 0.0126 C.2 1 UNL1111111111 -0.0206 6 C 2.0947 -0.4210 0.0653 C.ar 1 UNL1111111111 -0.0882 7 C 0.0689 1.0064 -0.0824 C.ar 1 UNL1111111111 -0.0887 8 C -0.1493 -1.4363 0.0489 C.2 1 UNL1111111111 0.0114 9 C -1.5977 -1.5070 0.0017 C.ar 1 UNL1111111111 -0.1159 10 C 2.7369 -0.8950 1.2172 C.ar 1 UNL1111111111 -0.0703 11 C -0.8615 1.3270 -1.0805 C.ar 1 UNL1111111111 -0.0721 12 C 2.8435 -0.0090 -1.0369 C.ar 1 UNL1111111111 -0.0626 13 C 0.4678 1.9782 0.8372 C.ar 1 UNL1111111111 -0.0675 14 C 4.1203 -0.9529 1.2696 C.ar 1 UNL1111111111 -0.2558 15 C -1.3999 2.6015 -1.1530 C.ar 1 UNL1111111111 -0.2523 16 C 4.2352 -0.0643 -1.0062 C.ar 1 UNL1111111111 -0.3034 17 C -0.0642 3.2643 0.7852 C.ar 1 UNL1111111111 -0.3022 18 C -2.2329 -2.2286 -1.0204 C.ar 1 UNL1111111111 -0.0568 19 C -2.3573 -0.8467 0.9696 C.ar 1 UNL1111111111 -0.0451 20 C 4.8580 -0.5353 0.1490 C.ar 1 UNL1111111111 0.2570 21 C -0.9960 3.5606 -0.2091 C.ar 1 UNL1111111111 0.2570 22 C -3.6154 -2.2722 -1.0871 C.ar 1 UNL1111111111 -0.2639 23 C -3.7481 -0.8794 0.9203 C.ar 1 UNL1111111111 -0.3082 24 C -4.3626 -1.5883 -0.1123 C.ar 1 UNL1111111111 0.2695 25 C 7.0404 -0.2730 -0.7477 C.3 1 UNL1111111111 -0.2024 26 C -1.2517 5.8116 0.5008 C.3 1 UNL1111111111 -0.2026 27 C -6.5523 -1.0395 0.6206 C.3 1 UNL1111111111 -0.2031 28 H 2.1447 -1.2201 2.0737 H 1 UNL1111111111 0.1610 29 H -1.1647 0.5645 -1.8002 H 1 UNL1111111111 0.1633 30 H 2.3349 0.3602 -1.9284 H 1 UNL1111111111 0.1579 31 H 1.2034 1.7276 1.6035 H 1 UNL1111111111 0.1591 32 H 4.6406 -1.3176 2.1511 H 1 UNL1111111111 0.1716 33 H -2.1244 2.8683 -1.9175 H 1 UNL1111111111 0.1723 34 H 4.8070 0.2556 -1.8693 H 1 UNL1111111111 0.1623 35 H 0.2504 4.0075 1.5077 H 1 UNL1111111111 0.1612 36 H -1.6343 -2.7532 -1.7678 H 1 UNL1111111111 0.1631 37 H -1.8551 -0.2925 1.7648 H 1 UNL1111111111 0.1595 38 H -4.1296 -2.8205 -1.8717 H 1 UNL1111111111 0.1731 39 H -4.3271 -0.3569 1.6729 H 1 UNL1111111111 0.1650 40 H 6.9265 0.7891 -0.9849 H 1 UNL1111111111 0.1337 41 H 6.8515 -0.9027 -1.6227 H 1 UNL1111111111 0.1355 42 H 8.0423 -0.4706 -0.3424 H 1 UNL1111111111 0.1521 43 H -0.1892 6.0573 0.4094 H 1 UNL1111111111 0.1352 44 H -1.8704 6.6432 0.1368 H 1 UNL1111111111 0.1524 45 H -1.5184 5.5599 1.5321 H 1 UNL1111111111 0.1335 46 H -6.4231 -1.4406 1.6305 H 1 UNL1111111111 0.1354 47 H -7.5510 -1.2863 0.2348 H 1 UNL1111111111 0.1526 48 H -6.3883 0.0422 0.5927 H 1 UNL1111111111 0.1368 @BOND 1 1 8 1 2 2 20 1 3 2 25 1 4 3 21 1 5 3 26 1 6 4 24 1 7 4 27 1 8 5 6 1 9 5 7 1 10 5 8 2 11 6 10 ar 12 6 12 ar 13 7 11 ar 14 7 13 ar 15 8 9 1 16 9 18 ar 17 9 19 ar 18 10 14 ar 19 10 28 1 20 11 15 ar 21 11 29 1 22 12 16 ar 23 12 30 1 24 13 17 ar 25 13 31 1 26 14 20 ar 27 14 32 1 28 15 21 ar 29 15 33 1 30 16 20 ar 31 16 34 1 32 17 21 ar 33 17 35 1 34 18 22 ar 35 18 36 1 36 19 23 ar 37 19 37 1 38 22 24 ar 39 22 38 1 40 23 24 ar 41 23 39 1 42 25 40 1 43 25 41 1 44 25 42 1 45 26 43 1 46 26 44 1 47 26 45 1 48 27 46 1 49 27 47 1 50 27 48 1